| CAS Number | 953900-95-3 |
| Catalog Number | AG019WGA |
| Chemical Name | N-(2-aminoethyl)-3-methylbenzamide |
| IUPAC Name | N-(2-aminoethyl)-3-methylbenzamide |
| InChI | InChI=1S/C10H14N2O/c1-8-3-2-4-9(7-8)10(13)12-6-5-11/h2-4,7H,5-6,11H2,1H3,(H,12,13) |
| InChI Key | DFZWITBKVUVDLR-UHFFFAOYSA-N |
| MDL Number | MFCD09730911 |
| Molecular Formula | C10H14N2O |
| Molecular Weight | 178.2310 |
| SMILES | CC1=CC(C(NCCN)=O)=CC=C1 |
| Synonyms | N-(2-aminoethyl)-3-methylbenzamide,
953900-95-3,
AC1Q2GYJ,
AC1N8I1C,
SCHEMBL11234425,
CTK7E8815,
ZINC6216778,
BBL018156,
MFCD09730911,
STL183837,
AKOS000141427,
MCULE-6526008602,
H5262,
EN300-51861,
N-(2-aminoethyl)-3-methyl-benzamide,
CID4319109,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.235g/mol |
| Monoisotopic Mass | 178.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number